{
IClusterData() :
bb(1),
- x(c_nbnxnCpuIClusterSize*DIM),
- xSimd(c_nbnxnCpuIClusterSize*DIM*GMX_REAL_MAX_SIMD_WIDTH)
+ x(c_nbnxnCpuIClusterSize * DIM),
+ xSimd(c_nbnxnCpuIClusterSize * DIM * GMX_REAL_MAX_SIMD_WIDTH)
{
}
// The bounding boxes, pbc shifted, for each cluster
AlignedVector<Nbnxm::BoundingBox> bb;
// The coordinates, pbc shifted, for each atom
- std::vector<real> x;
+ std::vector<real> x;
// Aligned list for storing 4*DIM*GMX_SIMD_REAL_WIDTH reals
- AlignedVector<real> xSimd;
+ AlignedVector<real> xSimd;
};
// Protect data from cache pollution between threads
- gmx_cache_protect_t cp0;
+ gmx_cache_protect_t cp0;
// Work data for generating an IEntry in the pairlist
- IClusterData iClusterData;
+ IClusterData iClusterData;
// The current cj_ind index for the current list
- int cj_ind;
+ int cj_ind;
// Temporary j-cluster list, used for sorting on exclusions
- std::vector<nbnxn_cj_t> cj;
+ std::vector<nbnxn_cj_t> cj;
// Nr. of cluster pairs without Coulomb for flop counting
- int ncj_noq;
+ int ncj_noq;
// Nr. of cluster pairs with 1/2 LJ for flop count
- int ncj_hlj;
+ int ncj_hlj;
// Protect data from cache pollution between threads
- gmx_cache_protect_t cp1;
+ gmx_cache_protect_t cp1;
};
/* Working data for the actual i-supercell during pair search */
ISuperClusterData() :
bb(c_gpuNumClusterPerCell),
#if NBNXN_SEARCH_BB_SIMD4
- bbPacked(c_gpuNumClusterPerCell/c_packedBoundingBoxesDimSize*c_packedBoundingBoxesSize),
+ bbPacked(c_gpuNumClusterPerCell / c_packedBoundingBoxesDimSize * c_packedBoundingBoxesSize),
#endif
- x(c_gpuNumClusterPerCell*c_nbnxnGpuClusterSize*DIM),
- xSimd(c_gpuNumClusterPerCell*c_nbnxnGpuClusterSize*DIM)
+ x(c_gpuNumClusterPerCell * c_nbnxnGpuClusterSize * DIM),
+ xSimd(c_gpuNumClusterPerCell * c_nbnxnGpuClusterSize * DIM)
{
}
// The bounding boxes, pbc shifted, for each cluster
AlignedVector<Nbnxm::BoundingBox> bb;
// As bb, but in packed xxxx format
- AlignedVector<float> bbPacked;
+ AlignedVector<float> bbPacked;
// The coordinates, pbc shifted, for each atom
- AlignedVector<real> x;
+ AlignedVector<real> x;
// Aligned coordinate list used for 4*DIM*GMX_SIMD_REAL_WIDTH floats
- AlignedVector<real> xSimd;
+ AlignedVector<real> xSimd;
};
NbnxnPairlistGpuWork() :
distanceBuffer(c_gpuNumClusterPerCell),
- sci_sort({}, {gmx::PinningPolicy::PinnedIfSupported})
+ sci_sort({}, { gmx::PinningPolicy::PinnedIfSupported })
{
}
// Protect data from cache pollution between threads
- gmx_cache_protect_t cp0;
+ gmx_cache_protect_t cp0;
// Work data for generating an i-entry in the pairlist
- ISuperClusterData iSuperClusterData;
+ ISuperClusterData iSuperClusterData;
// The current j-cluster index for the current list
- int cj_ind;
+ int cj_ind;
// Bounding box distance work array
- AlignedVector<float> distanceBuffer;
+ AlignedVector<float> distanceBuffer;
// Buffer for sorting list entries
- std::vector<int> sortBuffer;
+ std::vector<int> sortBuffer;
// Second sci array, for sorting
gmx::HostVector<nbnxn_sci_t> sci_sort;
// Protect data from cache pollution between threads
- gmx_cache_protect_t cp1;
+ gmx_cache_protect_t cp1;
};
#endif